Initial conditions for dynamics with SLED
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These files contain the initial conditions used for all tests with SLED. initial_condition-sbhNd - initial conditions for SBH-ND model.initial_condition-tullyN-M - initial conditions for the Tully N model with momentum M. Newton-X format. Positions and velocities in atomic units. More information:Tomaz, A. A.; Mattos, R. S.; Mukherjee, S.; Barbatti, M. Ehrenfest Dynamics with Spontaneous Localization. arXiv [physics.chem-ph] 2025. https://doi.org/10.48550/arXiv.2508.09526
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Zenodo创建时间:
2025-08-20



